2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-valeric acid Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCO2

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCO2

InChI

InChI=1S/C15H20ClNO4/c1-3-4-15(2,14(18)19)17-9-10-7-11(16)13-12(8-10)20-5-6-21-13/h7-8,17H,3-6,9H2,1-2H3,(H,18,19)